AG003PJI

108-82-7 | 2,6-Dimethylheptan-4-ol

AG003PJI

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CAS Number	108-82-7
Catalog Number	AG003PJI(AGN-PC-0JK8BK)
Chemical Name	2,6-Dimethylheptan-4-ol
EC Number	203-619-6
FEMA Number	3140
IUPAC Name	2,6-dimethylheptan-4-ol
InChI	InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
InChI Key	HXQPUEQDBSPXTE-UHFFFAOYSA-N
MDL Number	MFCD00008944
Molecular Formula	C9H20O
Molecular Weight	144.2545
NSC Number	62683
SMILES	CC(C)CC(O)CC(C)C
UN Number	1986
UNII	X5ATE41R0F
Synonyms	2,6-dimethyl-4-heptanol, diisobutyl carbinol, 2,6-Dimethylheptan-4-ol, 2,6-Dimethyl-4-heptanol, Diisobutylcarbinol, 108-82-7, 4-Heptanol, 2,6-dimethyl-, sec-Nonyl alcohol, DIISOBUTYL CARBINOL, 2,6-Dimethyl heptanol-4, Nonyl alcohol, secondary, 4-Hydroxy-2,6-dimethyl heptane, 2,6-Dimethylheptanol-4, UNII-X5ATE41R0F, NSC 62683, FEMA No. 3140, HSDB 5140, EINECS 203-619-6, BRN 1733804, 4-Heptanol,2,6-dimethyl-, X5ATE41R0F, AI3-14496, HXQPUEQDBSPXTE-UHFFFAOYSA-N, AC1L1PXX, 4-Heptanol,6-dimethyl-, DSSTox_CID_6802, 2, 6-Dimethyl-4-heptanol, 2,6-Dimethyl- 4-heptanol, ACMC-1B64J, DSSTox_RID_78219, DSSTox_GSID_26802, SCHEMBL22456, 4-01-00-01810 (Beilstein Handbook Reference), KSC506E0L, 4-Heptanol, 2-6-dimethyl-, AC1Q778B, 2,6-Dimethyl-4-heptyl Alcohol, CHEMBL3187831, DTXSID8026802, CTK4A6205, FEMA 3140, 2,6-Dimethyl-4-heptanol, 80%, KS-00000X0F, NSC62683, ZINC1691303, Tox21_202737, ANW-15983, MFCD00008944, NSC-62683, SBB060165, 2,6-Dimethyl-4-heptanol, >=82%, AKOS009157902, LS-2684, MCULE-5726175629, NCGC00260285-01, AJ-30109, AK114199, AN-22527, CAS-108-82-7, CJ-06496, CJ-28188, DB-040847, TC-104728, WLN: 1Y1 & 1YQ1Y1 & 1, D0732, FT-0610688, ST24038867, ST50823945, W-109396, I14-53629, InChI=1/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H, DIBc, NONYL ALCOHOL, DBC (CHRIS Code), DIISO-BUTYL CARBINOL, 4-Heptanol, 2,6-dimetil-, C9H20O, CID7957, C9-H20-O, 2,6 - dimethylheptan - 4 - ol, Alcohols, C8-10-iso-, C9 rich, Alcohols, C8-10-iso-, C9-rich, EINECS 271-233-5, AR-1D5009, NA1987, UN1987, HEPTAN-4-OL, 2,6-DIMETHYL-, EC 271-233-5, 68526-84-1, 90081-15-5,

Complexity	66.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.151g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.258g/mol
Monoisotopic Mass	144.151g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number